CID 43548153

Tert-butyl n-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1N)OCCO2
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)15-9-7-11-10(6-8(9)14)17-4-5-18-11/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKey
DCOQGLWEJXHIFS-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.4
[M+Na]+ 289.115868 167.2
[M-H]- 265.119374 166.5
[M+NH4]+ 284.160473 175.7
[M+K]+ 305.089808 168.1
[M+H-H2O]+ 249.123910 154.7
[M+HCOO]- 311.124851 179.6
[M+CH3COO]- 325.140501 200.6
[M+Na-2H]- 287.101316 168.5
[M]+ 266.12610142 162.0
[M]- 266.12719858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.